Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM152446'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM152446 (1-(3-Chlorophenyl)-3-(4-(2-oxo-2H-chromen-3-yl)thi...) Show SMILES Clc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C19H12ClN3O3S/c20-12-5-3-6-13(9-12)21-18(25)23-19-22-15(10-27-19)14-8-11-4-1-2-7-16(11)26-17(14)24/h1-10H,(H2,21,22,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	8.0	n/a
Bezmialem Vakif University					Assay Description The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5'-dithio-bis(2-nitrobenzoic) acid (DTNB) was used ...				Bioorg Chem 59: 80-90 (2015) Article DOI: 10.1016/j.bioorg.2015.02.002 BindingDB Entry DOI: 10.7270/Q2668BXT
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